Computational statistics, or statistical computing, is the study which is the intersection of statistics and computer science, and refers to the statistical methods that are enabled by using computational methods. It is the area of computational science (or scientific computing) specific to the mathematical science of statistics. This area is fast developing. The view that the broader concept of computing must be taught as part of general statistical education is gaining momentum. [1]
As in traditional statistics the goal is to transform raw data into knowledge, [2] but the focus lies on computer intensive statistical methods, such as cases with very large sample size and non-homogeneous data sets. [2]
The terms 'computational statistics' and 'statistical computing' are often used interchangeably, although Carlo Lauro (a former president of the International Association for Statistical Computing) proposed making a distinction, defining 'statistical computing' as "the application of computer science to statistics", and 'computational statistics' as "aiming at the design of algorithm for implementing statistical methods on computers, including the ones unthinkable before the computer age (e.g. bootstrap, simulation), as well as to cope with analytically intractable problems" [ sic ]. [3]
The term 'Computational statistics' may also be used to refer to computationally intensive statistical methods including resampling methods, Markov chain Monte Carlo methods, local regression, kernel density estimation, artificial neural networks and generalized additive models.
Though computational statistics is widely used today, it actually has a relatively short history of acceptance in the statistics community. For the most part, the founders of the field of statistics relied on mathematics and asymptotic approximations in the development of computational statistical methodology. [4]
In 1908, William Sealy Gosset performed his now well-known Monte Carlo method simulation which led to the discovery of the Student’s t-distribution. [5] With the help of computational methods, he also has plots of the empirical distributions overlaid on the corresponding theoretical distributions. The computer has revolutionized simulation and has made the replication of Gosset’s experiment little more than an exercise. [6] [7]
Later on, the scientists put forward computational ways of generating pseudo-random deviates, performed methods to convert uniform deviates into other distributional forms using inverse cumulative distribution function or acceptance-rejection methods, and developed state-space methodology for Markov chain Monte Carlo. [8] One of the first efforts to generate random digits in a fully automated way, was undertaken by the RAND Corporation in 1947. The tables produced were published as a book in 1955, and also as a series of punch cards.
By the mid-1950s, several articles and patents for devices had been proposed for random number generators. [9] The development of these devices were motivated from the need to use random digits to perform simulations and other fundamental components in statistical analysis. One of the most well known of such devices is ERNIE, which produces random numbers that determine the winners of the Premium Bond, a lottery bond issued in the United Kingdom. In 1958, John Tukey’s jackknife was developed. It is as a method to reduce the bias of parameter estimates in samples under nonstandard conditions. [10] This requires computers for practical implementations. To this point, computers have made many tedious statistical studies feasible. [11]
Maximum likelihood estimation is used to estimate the parameters of an assumed probability distribution, given some observed data. It is achieved by maximizing a likelihood function so that the observed data is most probable under the assumed statistical model.
Monte Carlo is a statistical method that relies on repeated random sampling to obtain numerical results. The concept is to use randomness to solve problems that might be deterministic in principle. They are often used in physical and mathematical problems and are most useful when it is difficult to use other approaches. Monte Carlo methods are mainly used in three problem classes: optimization, numerical integration, and generating draws from a probability distribution.
The Markov chain Monte Carlo method creates samples from a continuous random variable, with probability density proportional to a known function. These samples can be used to evaluate an integral over that variable, such as its expected value or variance. The more steps are included, the more closely the distribution of the sample matches the actual desired distribution.
Bootstrapping
The bootstrap is a resampling technique used to generate samples from an empirical probability distribution defined by an original sample of the population. It can be used to find a bootstrapped estimator of a population parameter. It can also be used to estimate the standard error of an estimator as well as to generate bootstrapped confidence intervals. The jackknife is a related technique [12] .
The following outline is provided as an overview of and topical guide to statistics:
Monte Carlo methods, or Monte Carlo experiments, are a broad class of computational algorithms that rely on repeated random sampling to obtain numerical results. The underlying concept is to use randomness to solve problems that might be deterministic in principle. The name comes from the Monte Carlo Casino in Monaco, where the primary developer of the method, mathematician Stanislaw Ulam, was inspired by his uncle's gambling habits.
In statistics and statistical physics, the Metropolis–Hastings algorithm is a Markov chain Monte Carlo (MCMC) method for obtaining a sequence of random samples from a probability distribution from which direct sampling is difficult. New samples are added to the sequence in two steps: first a new sample is proposed based on the previous sample, then the proposed sample is either added to the sequence or rejected depending on the value of the probability distribution at that point. The resulting sequence can be used to approximate the distribution or to compute an integral.
In statistics, Markov chain Monte Carlo (MCMC) is a class of algorithms used to draw samples from a probability distribution. Given a probability distribution, one can construct a Markov chain whose elements' distribution approximates it – that is, the Markov chain's equilibrium distribution matches the target distribution. The more steps that are included, the more closely the distribution of the sample matches the actual desired distribution.
Stochastic is the property of being well-described by a random probability distribution. Stochasticity and randomness are technically distinct concepts: the former refers to a modeling approach, while the latter describes phenomena; in everyday conversation, however, these terms are often used interchangeably. In probability theory, the formal concept of a stochastic process is also referred to as a random process.
Bayesian statistics is a theory in the field of statistics based on the Bayesian interpretation of probability, where probability expresses a degree of belief in an event. The degree of belief may be based on prior knowledge about the event, such as the results of previous experiments, or on personal beliefs about the event. This differs from a number of other interpretations of probability, such as the frequentist interpretation, which views probability as the limit of the relative frequency of an event after many trials. More concretely, analysis in Bayesian methods codifies prior knowledge in the form of a prior distribution.
Nicholas Constantine Metropolis was a Greek-American physicist.
Monte Carlo methods are used in corporate finance and mathematical finance to value and analyze (complex) instruments, portfolios and investments by simulating the various sources of uncertainty affecting their value, and then determining the distribution of their value over the range of resultant outcomes. This is usually done by help of stochastic asset models. The advantage of Monte Carlo methods over other techniques increases as the dimensions of the problem increase.
Parallel tempering, in physics and statistics, is a computer simulation method typically used to find the lowest energy state of a system of many interacting particles. It addresses the problem that at high temperatures, one may have a stable state different from low temperature, whereas simulations at low temperatures may become "stuck" in a metastable state. It does this by using the fact that the high temperature simulation may visit states typical of both stable and metastable low temperature states.
A permutation test is an exact statistical hypothesis test making use of the proof by contradiction. A permutation test involves two or more samples. The null hypothesis is that all samples come from the same distribution . Under the null hypothesis, the distribution of the test statistic is obtained by calculating all possible values of the test statistic under possible rearrangements of the observed data. Permutation tests are, therefore, a form of resampling.
In statistics, resampling is the creation of new samples based on one observed sample. Resampling methods are:
Uncertainty quantification (UQ) is the science of quantitative characterization and estimation of uncertainties in both computational and real world applications. It tries to determine how likely certain outcomes are if some aspects of the system are not exactly known. An example would be to predict the acceleration of a human body in a head-on crash with another car: even if the speed was exactly known, small differences in the manufacturing of individual cars, how tightly every bolt has been tightened, etc., will lead to different results that can only be predicted in a statistical sense.
Bootstrapping is a procedure for estimating the distribution of an estimator by resampling one's data or a model estimated from the data. Bootstrapping assigns measures of accuracy to sample estimates. This technique allows estimation of the sampling distribution of almost any statistic using random sampling methods.
Bayesian inference of phylogeny combines the information in the prior and in the data likelihood to create the so-called posterior probability of trees, which is the probability that the tree is correct given the data, the prior and the likelihood model. Bayesian inference was introduced into molecular phylogenetics in the 1990s by three independent groups: Bruce Rannala and Ziheng Yang in Berkeley, Bob Mau in Madison, and Shuying Li in University of Iowa, the last two being PhD students at the time. The approach has become very popular since the release of the MrBayes software in 2001, and is now one of the most popular methods in molecular phylogenetics.
A stochastic simulation is a simulation of a system that has variables that can change stochastically (randomly) with individual probabilities.
In probability and statistics, the quantile function outputs the value of a random variable such that its probability is less than or equal to an input probability value. Intuitively, the quantile function associates with a range at and below a probability input the likelihood that a random variable is realized in that range for some probability distribution. It is also called the percentile function, percent-point function, inverse cumulative distribution function or inverse distribution function.
Approximate Bayesian computation (ABC) constitutes a class of computational methods rooted in Bayesian statistics that can be used to estimate the posterior distributions of model parameters.
"Equation of State Calculations by Fast Computing Machines" is a scholarly article published by Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth, Augusta H. Teller, and Edward Teller in the Journal of Chemical Physics in 1953. This paper proposed what became known as the Metropolis Monte Carlo algorithm, which forms the basis for Monte Carlo statistical mechanics simulations of atomic and molecular systems.
Non-uniform random variate generation or pseudo-random number sampling is the numerical practice of generating pseudo-random numbers (PRN) that follow a given probability distribution. Methods are typically based on the availability of a uniformly distributed PRN generator. Computational algorithms are then used to manipulate a single random variate, X, or often several such variates, into a new random variate Y such that these values have the required distribution. The first methods were developed for Monte-Carlo simulations in the Manhattan project, published by John von Neumann in the early 1950s.
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